2-[3-(2-Methoxyphenyl)propanoyl]benzonitrile
[CAS# 898769-69-2]

Identification

• Name: 2-[3-(2-Methoxyphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(2-methoxyphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO₂
• Molecular Weight: 265.31
• CAS Registry Number: 898769-69-2
• SMILES: COc2ccccc2CCC(=O)c1ccccc1C#N
• InChI: 1S/C17H15NO2/c1-20-17-9-5-3-6-13(17)10-11-16(19)15-8-4-2-7-14(15)12-18/h2-9H,10-11H2,1H3
• InChIKey: OPLKWXOQRAWVJR-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 455.887°C at 760 mmHg (Cal.)
• Flash point: 198.76°C (Cal.)
• Refractive index: 1.583 (Cal.)